UCSF

ZINC39872566

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.87 8.79 -14.89 1 7 0 89 508.324 4
Hi High (pH 8-9.5) 4.87 9.71 -52.06 0 7 -1 92 507.316 4

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Analogs ( Draw Identity 99% 90% 80% 70% )